BioLiP

PDB

BioLiP

PDB CCD ID:

NHA

Number of entries in BioLiP:

Chemical formula:

C4 H9 N3 O2

InChI:

InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)

InChIKey:

DSLBDPPHINVUID-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@H](C(=O)N)N)C(=O)N
CACTVS 2.87	NC(CC(N)=O)C(N)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)N)N)C(=O)N

Name:

C-DEHYDROXY-C-AMINO-ASPARAGINE

ChEMBL:

CHEMBL2009979

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).